5-[(2,3-dimethylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2,3-dimethylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2,3-dimethylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2,3-dimethylanilino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2,3-dimethylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,3-dimethylanilino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C19H24N7S2+ MolecularWeight: 414.57076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H23N7S2/c1-14-5-3-6-16(15(14)2)22-18-23-26(19(27)28-18)13-24-9-11-25(12-10-24)17-20-7-4-8-21-17/h3-8H,9-13H2,1-2H3,(H,22,23)/p+1